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Murcko scaffold

Ring system with 4 rings and 26 atoms

17 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
26
Chemicals
17
With full pages
4
Scaffold SMILES

O=S(=O)(CCc1ccc2[nH]cc(CC3CCCN3)c2c1)c1ccccc1

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffold
Murcko scaffold O=S(=O)(CCc1ccc2[nH]cc(CC3CCCN3)c2c1)c1ccccc1

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 17 of 17 chemicals

Eletriptan chemical structure, C22H26N2O2S, CAS 143322-58-1
Eletriptan
CAS 143322-58-1C22H26N2O2S
Eletriptan hydrobromide chemical structure, C22H27BrN2O2S, CAS 177834-92-3
Eletriptan hydrobromide
CAS 177834-92-3C22H27BrN2O2S
Eletriptan hemisulfate chemical structure, C44H54N4O8S3, CAS 219790-71-3
Eletriptan hemisulfate
CAS 219790-71-3C44H54N4O8S3
Eletriptan hydrobromide monohydrate chemical structure, C22H29BrN2O3S, CAS 273211-28-2
Eletriptan hydrobromide monohydrate
CAS 273211-28-2C22H29BrN2O3S
(R)-1-Acetyl-5-(2-benzenesulphonylethyl)-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole chemical structure, C24H28N2O3S, CAS 438226-82-5
(R)-1-Acetyl-5-(2-benzenesulphonylethyl)-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole
CAS 438226-82-5C24H28N2O3S
N-Desmethyl eletriptan chemical structure, C21H24N2O2S, CAS 153525-55-4
N-Desmethyl eletriptan
CAS 153525-55-4C21H24N2O2S
Eletriptan-d5 chemical structure, C22H26N2O2S, CAS 1126745-65-0
Eletriptan-d5
CAS 1126745-65-0C22H26N2O2S
(S)-3-((1-Methylpyrrolidin-2-yl)methyl)-5-(2-(phenylsulfonyl)ethyl)-1H-indole chemical structure, C22H26N2O2S, CAS 1252673-29-2
(S)-3-((1-Methylpyrrolidin-2-yl)methyl)-5-(2-(phenylsulfonyl)ethyl)-1H-indole
CAS 1252673-29-2C22H26N2O2S
Eletriptan N-oxide chemical structure, C22H26N2O3S, CAS 1217641-89-8
Eletriptan N-oxide
CAS 1217641-89-8C22H26N2O3S
ent-Eletriptan-d3 chemical structure, C22H26N2O2S, CAS 1217698-26-4
ent-Eletriptan-d3
CAS 1217698-26-4C22H26N2O2S
Eletriptan mesylate chemical structure, C23H30N2O5S2, CAS 1261286-61-6
Eletriptan mesylate
CAS 1261286-61-6C23H30N2O5S2
1H-Indole, 1-acetyl-3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-5-[2-(phenylsulfonyl)ethyl]- chemical structure, C24H28N2O3S
1H-Indole, 1-acetyl-3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-5-[2-(phenylsulfonyl)ethyl]-
C24H28N2O3S
Eletriptan succinate chemical structure, C26H32N2O6S, CAS 143577-61-1
Eletriptan succinate
CAS 143577-61-1C26H32N2O6S
5-[2-(Benzenesulfonyl)ethyl]-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole, hydrochloride chemical structure, C21H25ClN2O2S, CAS 1391054-78-6
5-[2-(Benzenesulfonyl)ethyl]-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole, hydrochloride
CAS 1391054-78-6C21H25ClN2O2S
Eletriptan-d3 chemical structure, C22H26N2O2S, CAS 1287040-94-1
Eletriptan-d3
CAS 1287040-94-1C22H26N2O2S
Eletriptan hydrochloride chemical structure, C22H27ClN2O2S, CAS 1163127-11-4
Eletriptan hydrochloride
CAS 1163127-11-4C22H27ClN2O2S
(1S,2R)-1-Methyl-2-((5-(2-(phenylsulfonyl)ethyl)-1H-indol-3-yl)methyl)pyrrolidine 1-oxide chemical structure, C22H26N2O3S, CAS 1408337-87-0
(1S,2R)-1-Methyl-2-((5-(2-(phenylsulfonyl)ethyl)-1H-indol-3-yl)methyl)pyrrolidine 1-oxide
CAS 1408337-87-0C22H26N2O3S